General Information of the Compound
| Compound ID |
CP0538848
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| Compound Name |
(2S,3R,4R,5S,6S)-2-(4-chloro-3-((5-(furan-2-yl)thiazol-2-yl)methyl)phenyl)-6-(2-hydroxypropan-2-yl)tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C22H24ClNO6S
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| Molecular Weight |
465.955
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| Canonical SMILES |
CC(C)(O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1ccc(Cl)c(Cc2ncc(s2)-c2ccco2)c1
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| InChI |
InChI=1S/C22H24ClNO6S/c1-22(2,28)21-19(27)17(25)18(26)20(30-21)11-5-6-13(23)12(8-11)9-16-24-10-15(31-16)14-4-3-7-29-14/h3-8,10,17-21,25-28H,9H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1
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| InChIKey |
QCYQTUIEIVHBPM-MJCUULBUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound